1-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)-N-methylmethanamine

C11H14BrNO2 — CID 84713190

IUPAC1-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)-N-methylmethanamine
SMILESCCc1c(CNC)cc(Br)c2c1OCO2
InChIInChI=1S/C11H14BrNO2/c1-3-8-7(5-13-2)4-9(12)11-10(8)14-6-15-11/h4,13H,3,5-6H2,1-2H3
InChIKeyBCOYNOCPJVMADV-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.46
Rot. Bonds3

About 1-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)-N-methylmethanamine

1-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)-N-methylmethanamine (PubChem CID 84713190) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 1-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)-N-methylmethanamine
PubChem CID84713190
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name1-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)-N-methylmethanamine
SMILESCCc1c(CNC)cc(Br)c2c1OCO2
InChIInChI=1S/C11H14BrNO2/c1-3-8-7(5-13-2)4-9(12)11-10(8)14-6-15-11/h4,13H,3,5-6H2,1-2H3
InChIKeyBCOYNOCPJVMADV-UHFFFAOYSA-N
XLogP2.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)methanol
CID 84709698
1-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpropan-2-amine
CID 117483586
O-[2-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
CID 117464906
1-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)-2-(methylamino)ethanol
CID 117486341
2-(9-bromo-6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
CID 117484958
8-bromo-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 59598541
2-(5-bromo-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylethanamine
CID 117461082
1-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)-N-methoxymethanamine
CID 117437449
3-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)butanal
CID 117481734
4-bromo-6-ethyl-1,3-benzodioxole
CID 130065754
1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)-N-methylmethanamine
CID 83886131
N-[[2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)cyclopropyl]methyl]ethanamine
CID 62704401

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)-N-methylmethanamine (CID 84713190) is 1-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)-N-methylmethanamine is CCc1c(CNC)cc(Br)c2c1OCO2.
What is the InChIKey of 1-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)-N-methylmethanamine?
The InChIKey is BCOYNOCPJVMADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-3-8-7(5-13-2)4-9(12)11-10(8)14-6-15-11/h4,13H,3,5-6H2,1-2H3.
What are the key properties of 1-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)-N-methylmethanamine?
1-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)-N-methylmethanamine has a molecular weight of 272.14 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-4-ethyl-1,3-benzodioxol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 84713190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).